[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-methyl-4-nitro-pyrrol-2-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-methyl-4-nitro-pyrrol-2-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-methyl-4-nitro-pyrrol-2-yl)methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-(1-methyl-4-nitro-2-pyrrolyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-(1-methyl-4-nitro-pyrrol-2-yl)methanone Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c1-13-4-5-14(2)16(10-13)20-6-8-21(9-7-20)18(23)17-11-15(22(24)25)12-19(17)3/h4-5,10-12H,6-9H2,1-3H3